4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one

C25H26O3 — CID 54720680

IUPAC4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one
SMILESCCC(Cc1ccccc1)c1cc(O)c(C2(c3ccccc3)CCC2)c(=O)o1
InChIInChI=1S/C25H26O3/c1-2-19(16-18-10-5-3-6-11-18)22-17-21(26)23(24(27)28-22)25(14-9-15-25)20-12-7-4-8-13-20/h3-8,10-13,17,19,26H,2,9,14-16H2,1H3
InChIKeyNXINUFZPBCOGBN-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.55
Rot. Bonds6

About 4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one

4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one (PubChem CID 54720680) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one
PubChem CID54720680
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one
SMILESCCC(Cc1ccccc1)c1cc(O)c(C2(c3ccccc3)CCC2)c(=O)o1
InChIInChI=1S/C25H26O3/c1-2-19(16-18-10-5-3-6-11-18)22-17-21(26)23(24(27)28-22)25(14-9-15-25)20-12-7-4-8-13-20/h3-8,10-13,17,19,26H,2,9,14-16H2,1H3
InChIKeyNXINUFZPBCOGBN-UHFFFAOYSA-N
XLogP5.55
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one
CID 54681451
4-hydroxy-6-[(2S)-1-phenylbutan-2-yl]pyran-2-one
CID 129362698
4-hydroxy-6-(1-phenylbutan-2-yl)pyran-2-one
CID 54689207
6-[1-(3-bromophenyl)butan-2-yl]-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one
CID 54720648
6-[1-(4-bromophenyl)butan-2-yl]-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one
CID 54720598
3-[[5-(aminomethyl)thiophen-2-yl]-cyclopropylmethyl]-4-hydroxy-6-(1-phenylbutan-2-yl)pyran-2-one
CID 54732001
4-bromo-N-[cyclopropyl-[4-hydroxy-2-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]-phenylmethyl]benzenesulfonamide
CID 174300735
4-hydroxy-6-(1-naphthalen-2-ylbutan-2-yl)-3-(1-phenylpropyl)pyran-2-one
CID 54720642
4-[[3-[cyclopropyl-[4-hydroxy-2-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]sulfamoyl]benzamide
CID 54693185
3-amino-N-[2-[[4-hydroxy-2-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]-phenylmethyl]cyclopropyl]benzenesulfonamide
CID 67811487
6-[1-(furan-3-yl)butan-2-yl]-4-hydroxy-3-[1-(5-methylthiophen-2-yl)propyl]pyran-2-one
CID 54734856
1-(benzenesulfonyl)-3-[2-[[4-hydroxy-2-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]-phenylmethyl]cyclopropyl]urea
CID 67809602

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one (CID 54720680) is 4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one is CCC(Cc1ccccc1)c1cc(O)c(C2(c3ccccc3)CCC2)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one?
The InChIKey is NXINUFZPBCOGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-2-19(16-18-10-5-3-6-11-18)22-17-21(26)23(24(27)28-22)25(14-9-15-25)20-12-7-4-8-13-20/h3-8,10-13,17,19,26H,2,9,14-16H2,1H3.
What are the key properties of 4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one?
4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one has a molecular weight of 374.48 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylcyclobutyl)pyran-2-one is sourced from PubChem (CID 54720680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).